3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide

C23H22ClNO2 — CID 2951983

IUPAC3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CC(c1ccccc1)c1cc(Cl)ccc1O)c1ccccc1
InChIInChI=1S/C23H22ClNO2/c1-16(17-8-4-2-5-9-17)25-23(27)15-20(18-10-6-3-7-11-18)21-14-19(24)12-13-22(21)26/h2-14,16,20,26H,15H2,1H3,(H,25,27)
InChIKeyBVUPPEKHPNFPLW-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.45
Rot. Bonds6

About 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide

3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide (PubChem CID 2951983) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide
PubChem CID2951983
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CC(c1ccccc1)c1cc(Cl)ccc1O)c1ccccc1
InChIInChI=1S/C23H22ClNO2/c1-16(17-8-4-2-5-9-17)25-23(27)15-20(18-10-6-3-7-11-18)21-14-19(24)12-13-22(21)26/h2-14,16,20,26H,15H2,1H3,(H,25,27)
InChIKeyBVUPPEKHPNFPLW-UHFFFAOYSA-N
XLogP5.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide (CID 2951983) is 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide is CC(NC(=O)CC(c1ccccc1)c1cc(Cl)ccc1O)c1ccccc1.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide?
The InChIKey is BVUPPEKHPNFPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-16(17-8-4-2-5-9-17)25-23(27)15-20(18-10-6-3-7-11-18)21-14-19(24)12-13-22(21)26/h2-14,16,20,26H,15H2,1H3,(H,25,27).
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide?
3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide has a molecular weight of 379.89 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 2951983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).